CID 252163

2,4-diamino-6-nitroquinazoline

Structural Information

Molecular Formula
C8H7N5O2
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=NC(=N2)N)N
InChI
InChI=1S/C8H7N5O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H,(H4,9,10,11,12)
InChIKey
YZMJNZRTRWPJFY-UHFFFAOYSA-N
Compound name
6-nitroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

19
Patents

205.05997 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.06725 137.0
[M+Na]+ 228.04919 150.1
[M+NH4]+ 223.09379 144.4
[M+K]+ 244.02313 147.8
[M-H]- 204.05269 140.6
[M+Na-2H]- 226.03464 143.2
[M]+ 205.05942 139.5
[M]- 205.06052 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe